2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride

C20H25ClFN — CID 175168878

IUPAC2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride
SMILESCc1ccc(C(CC2CC2)NC(C)c2ccccc2)cc1F.Cl
InChIInChI=1S/C20H24FN.ClH/c1-14-8-11-18(13-19(14)21)20(12-16-9-10-16)22-15(2)17-6-4-3-5-7-17;/h3-8,11,13,15-16,20,22H,9-10,12H2,1-2H3;1H
InChIKeyKPBOQQVYTIMFFU-UHFFFAOYSA-N
MW333.88 g/mol
LogP5.75
Rot. Bonds6

About 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride

2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride (PubChem CID 175168878) has the molecular formula C20H25ClFN and a molecular weight of 333.88 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride
PubChem CID175168878
Molecular FormulaC20H25ClFN
Molecular Weight333.88 g/mol
Exact Mass333.17
IUPAC Name2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride
SMILESCc1ccc(C(CC2CC2)NC(C)c2ccccc2)cc1F.Cl
InChIInChI=1S/C20H24FN.ClH/c1-14-8-11-18(13-19(14)21)20(12-16-9-10-16)22-15(2)17-6-4-3-5-7-17;/h3-8,11,13,15-16,20,22H,9-10,12H2,1-2H3;1H
InChIKeyKPBOQQVYTIMFFU-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.88
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
CID 103784026
1-(3,4-dimethylphenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193661
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
[1-(3-fluoro-4-methylphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 107130877
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
N-[2-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107130330
[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105254156
[2-cyclopropyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105196978

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride?
The IUPAC name of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride (CID 175168878) is 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride is Cc1ccc(C(CC2CC2)NC(C)c2ccccc2)cc1F.Cl.
What is the InChIKey of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride?
The InChIKey is KPBOQQVYTIMFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN.ClH/c1-14-8-11-18(13-19(14)21)20(12-16-9-10-16)22-15(2)17-6-4-3-5-7-17;/h3-8,11,13,15-16,20,22H,9-10,12H2,1-2H3;1H.
What are the key properties of 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride?
2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride has a molecular weight of 333.88 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-(1-phenylethyl)ethanamine;hydrochloride is sourced from PubChem (CID 175168878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).